2,5-Difluorobenzyl chloride

Base Information

• Chemical Name: 2,5-Difluorobenzyl chloride
• CAS No.: 495-07-8
• Molecular Formula: C7H5 Cl F2
• Molecular Weight: 162.567
• Hs Code.: 29039990
• European Community (EC) Number: 679-471-5
• DSSTox Substance ID: DTXSID00371727
• Wikidata: Q72462675
• Mol file: 495-07-8.mol

Synonyms:2,5-Difluorobenzyl chloride;495-07-8;2-(chloromethyl)-1,4-difluorobenzene;Benzene, 2-(chloromethyl)-1,4-difluoro-;2,5-Difluorobenzylchloride;2-(chloromethyl)-1,4-bis(fluoranyl)benzene;difluorobenzyl chloride;ALPHA-CHLORO-2,5-DIFLUOROTOLUENE;SCHEMBL2708686;DTXSID00371727;INXKTZMJFPRVAY-UHFFFAOYSA-N;CK1011;MFCD01090989;STK503682;AKOS005171614;AM62160;AS-45821;5,6-Dimethoxy-indan-1-ylaminehydrochloride;D4726;FT-0677160;EN300-43552;A822961;A827732;A871793;J-507340

Chemical Property of 2,5-Difluorobenzyl chloride

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 1.69mmHg at 25°C
• Refractive Index: 1.4920 to 1.4960
• Boiling Point: 173.5°Cat760mmHg
• Flash Point: 61.3°C
• PSA: 0.00000
• Density: 1.294g/cm³
• LogP: 2.70360
• Storage Temp.: 2-8°C
• Sensitive.: Lachrymatory
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.0047842
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

2,5-Difluorobenzyl Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34-20/22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CCl)F

Technology Process of 2,5-Difluorobenzyl chloride

There total 4 articles about 2,5-Difluorobenzyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 25.0%

1,4-difluoro-2-methylbenzene (452-67-5) → 2,5-difluorobenzyl chloride (495-07-8)

Guidance literature:

With methanol; tetrachloromethane; iron(II) chloride tetrahydrate; formamide; at 180 ℃; for 6h; Reagent/catalyst; chemoselective reaction; Inert atmosphere; Sealed tube; Autoclave;

DOI:10.1016/j.jfluchem.2019.109346

Reference yield:

2-Fluorotoluene (95-52-3) → 2,5-difluorobenzyl chloride (495-07-8)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. HNO₃

2: (i) Sn, aq. HCl, (ii) NaNO₂, HBF₄, (iii) (thermolysis)

3: Cl₂ / Irradiation

With nitric acid; chlorine;

Reference yield:

5-nitro-2-fluorotoluene (455-88-9) → 2,5-difluorobenzyl chloride (495-07-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Sn, aq. HCl, (ii) NaNO₂, HBF₄, (iii) (thermolysis)

2: Cl₂ / Irradiation

With chlorine;

upstream raw materials:

1,4-difluoro-2-methylbenzene

2-Fluorotoluene

5-nitro-2-fluorotoluene

Downstream raw materials:

methyl 4-(1-(2,5-difluorobenzyl)-4-fluoro-1H-indazol-3-yl)-3-fluorobenzoate

C₃₁H₂₉F₂N₅O

C₁₉H₂₀BrF₂N₅O

C₁₉H₂₁F₂N₅O

Refernces